6243-0798 Screening compound: (5E)-2-amino-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

6243-0798 Screening compound: (5E)-2-amino-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
6243-0798 Screening compound: (5E)-2-amino-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6243-0798
(5E)-2-amino-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6243-0798

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

(5E)-2-amino-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile

IUPAC name

(5E)-2-amino-5-[(6-ethoxy-2H-13-benzodioxol-5-yl)methylidene]-46-dimethyl-5H-cyclopenta[b]pyridine-37-dicarbonitrile

SMILES

CCOc(c(/C=C1/c2c(C)c(C#N)c(N)nc2C(C#N)=C1C)c1)cc2c1OCO2

InChI

InChI=1S/C22H18N4O3/c1-4-27-17-7-19-18(28-10-29-19)6-13(17)5-14-11(2)15(8-23)21-20(14)12(3)16(9-24)22(25)26-21/h5-7H,4,10H2,1-3H3,(H2,25,26)

InChI Key

KOPLNRUZENNVSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.84

Polar Surface Area

88.865

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 6243-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6243-0798?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6243-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6243-0798
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6243-0798 available by request